SCHEMBL19850477

SCHEMBL19850477

C[S+]([O-])c1ccc(COCc2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.54
F2RL3 Q96RI0 1/20 0.42
PRMT5 O14744 2/20 0.39
THRB P10828 2/20 0.37
WNT3A P56704 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACKR3 P25106 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1118285 0.87 GPR119 (0.60) GPR119
SCHEMBL19850397 0.84 GPR119 (0.50) GPR119F2RL3PRMT5THRBGAA
SCHEMBL19850532 0.83 GPR119 (0.49) GPR119F2RL3THRBKDM4EMAPT
SCHEMBL1118254 0.79 GPR119 (0.65) GPR119F2RL3PRMT5GAAKDM4E
SCHEMBL3144261 0.79 GPR119 (0.60) GPR119F2RL3THRBGAASMN1; SMN2
SCHEMBL19850459 0.78 GPR119 (0.55) GPR119F2RL3GAASMN1; SMN2
SCHEMBL19850456 0.78 GPR119 (0.51) GPR119PRMT5SMN1; SMN2
SCHEMBL1118291 0.78 GPR119 (0.70) GPR119F2RL3PRMT5THRBGAA
SCHEMBL1576136 0.77 GPR119 (0.48) GPR119DDB1CRBNKDM4E
SCHEMBL1118205 0.77 GPR119 (0.72) GPR119F2RL3PRMT5THRBGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018026890-A1 OXYMETHYLENE ARYL COMPOUNDS FOR TREATING INFLAMMATORY GASTROINTESTINAL DISEASES OR GASTROINTESTINAL CONDITIONS CYMABAY THERAPEUTICS (US) 2018-02-08 WO disclosed